2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C12H19N5 — CID 79821815

IUPAC2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(N)C(C)(C)C)nc2n1
InChIInChI=1S/C12H19N5/c1-12(2,3)9(13)11-15-7-5-6-8(14-4)16-10(7)17-11/h5-6,9H,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyQQLYTUDKQZEVJZ-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.05
Rot. Bonds2

About 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821815) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821815
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C(N)C(C)(C)C)nc2n1
InChIInChI=1S/C12H19N5/c1-12(2,3)9(13)11-15-7-5-6-8(14-4)16-10(7)17-11/h5-6,9H,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyQQLYTUDKQZEVJZ-UHFFFAOYSA-N
XLogP2.05
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821815) is 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C(N)C(C)(C)C)nc2n1.
What is the InChIKey of 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is QQLYTUDKQZEVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(2,3)9(13)11-15-7-5-6-8(14-4)16-10(7)17-11/h5-6,9H,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 233.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2-dimethylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).